(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide

C24H29NO4 — CID 55919224

IUPAC(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1ccc(OCCC)c(OC)c1
InChIInChI=1S/C24H29NO4/c1-5-15-25(18-20-7-11-21(27-3)12-8-20)24(26)14-10-19-9-13-22(29-16-6-2)23(17-19)28-4/h5,7-14,17H,1,6,15-16,18H2,2-4H3/b14-10+
InChIKeyNFERHDLMADKBNP-GXDHUFHOSA-N
MW395.50 g/mol
LogP4.72
Rot. Bonds11

About (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide

(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 55919224) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide
PubChem CID55919224
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1ccc(OCCC)c(OC)c1
InChIInChI=1S/C24H29NO4/c1-5-15-25(18-20-7-11-21(27-3)12-8-20)24(26)14-10-19-9-13-22(29-16-6-2)23(17-19)28-4/h5,7-14,17H,1,6,15-16,18H2,2-4H3/b14-10+
InChIKeyNFERHDLMADKBNP-GXDHUFHOSA-N
XLogP4.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
(E)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 29251286
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
(E)-3-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]prop-2-enamide
CID 54776580
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
4-[[[(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966182
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
(E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 162516150
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-ethoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 55371994
(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19184908

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide (CID 55919224) is (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide is C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1ccc(OCCC)c(OC)c1.
What is the InChIKey of (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is NFERHDLMADKBNP-GXDHUFHOSA-N. The full InChI is InChI=1S/C24H29NO4/c1-5-15-25(18-20-7-11-21(27-3)12-8-20)24(26)14-10-19-9-13-22(29-16-6-2)23(17-19)28-4/h5,7-14,17H,1,6,15-16,18H2,2-4H3/b14-10+.
What are the key properties of (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide?
(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 395.50 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 55919224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).